#------------------------------------------------------------------------------
#$Date: 2021-12-02 11:07:04 +0200 (Thu, 02 Dec 2021) $
#$Revision: 270977 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/54/1565480.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1565480
loop_
_publ_author_name
'Wen, Gui-Lin'
'Liu, Bo'
'Liu, Dao-Fu'
'Wang, Feng-Wu'
'Li, Li'
'Zhu, Liang'
'Song, Dong-Mei'
'Huang, Chao-Xiu'
'Wang, Yao-Yu'
_publ_section_title
;
 Four congenetic zinc(II) MOFs from delicate solvent-regulated strategy:
 Structural diversities and fluorescent properties
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119296
_journal_paper_doi               10.1016/j.ica.2019.119296
_journal_volume                  502
_journal_year                    2020
_chemical_formula_sum            'C24 H20 N2 O11 Zn2'
_chemical_formula_weight         643.16
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.713(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.917(14)
_cell_length_b                   16.436(8)
_cell_length_c                   19.031(9)
_cell_measurement_reflns_used    2431
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      20.16
_cell_measurement_theta_min      2.44
_cell_volume                     7933(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0797
_diffrn_reflns_av_unetI/netI     0.1262
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19187
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         1.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.251
_exptl_absorpt_correction_T_max  0.7880
_exptl_absorpt_correction_T_min  0.7053
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.077
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2608
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_platon_squeeze_details
;
;
_refine_diff_density_max         1.399
_refine_diff_density_min         -1.045
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.190
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         7533
_refine_ls_number_restraints     50
_refine_ls_restrained_S_all      2.657
_refine_ls_R_factor_all          0.1561
_refine_ls_R_factor_gt           0.0938
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0100P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2466
_refine_ls_wR_factor_ref         0.2649
_reflns_number_gt                3280
_reflns_number_total             7533
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2020-502-119296.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_sg_symbol_H-M      'C2/c  '
_cod_database_code               1565480
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.48856(4) 0.12725(7) 0.31685(6) 0.0506(3) Uani 1 1 d . . .
Zn2 Zn 0.33081(6) -0.36013(10) 0.22614(13) 0.1355(7) Uani 1 1 d U . .
C1 C 0.3330(5) -0.2314(8) 0.1612(8) 0.096(5) Uani 1 1 d U . .
C2 C 0.3376(4) -0.1550(6) 0.1207(7) 0.075(4) Uani 1 1 d U . .
C3 C 0.3768(3) -0.0992(6) 0.1612(6) 0.063(3) Uani 1 1 d . . .
H3 H 0.4016 -0.1097 0.2141 0.076 Uiso 1 1 calc R . .
C4 C 0.3804(3) -0.0302(6) 0.1271(6) 0.053(3) Uani 1 1 d . . .
C5 C 0.4265(3) 0.0236(6) 0.1726(5) 0.052(3) Uani 1 1 d . . .
C6 C 0.3436(4) -0.0146(5) 0.0472(6) 0.060(4) Uani 1 1 d . . .
C7 C 0.3050(4) -0.0701(6) 0.0053(6) 0.075(4) Uani 1 1 d U . .
H7 H 0.2802 -0.0596 -0.0477 0.090 Uiso 1 1 calc R . .
C8 C 0.3027(4) -0.1397(7) 0.0403(7) 0.084(4) Uani 1 1 d U . .
H8 H 0.2773 -0.1784 0.0104 0.100 Uiso 1 1 calc R . .
C9 C 0.3417(4) 0.0622(7) 0.0065(6) 0.073(4) Uani 1 1 d . . .
C10 C 0.3323(5) 0.0672(8) -0.0723(6) 0.092(5) Uani 1 1 d . . .
H10 H 0.3296 0.0200 -0.1010 0.111 Uiso 1 1 calc R . .
C11 C 0.3267(6) 0.1444(8) -0.1092(8) 0.115(6) Uani 1 1 d . . .
H11 H 0.3197 0.1485 -0.1622 0.139 Uiso 1 1 calc R . .
C12 C 0.3319(5) 0.2118(8) -0.0653(8) 0.105(6) Uani 1 1 d . . .
H12 H 0.3305 0.2633 -0.0867 0.127 Uiso 1 1 calc R . .
C13 C 0.3395(4) 0.2032(7) 0.0136(6) 0.072(4) Uani 1 1 d . . .
C14 C 0.3423(4) 0.2772(6) 0.0590(6) 0.067(4) Uani 1 1 d . . .
C15 C 0.3030(4) 0.3338(7) 0.0253(8) 0.093(5) Uani 1 1 d . . .
H15 H 0.2756 0.3254 -0.0263 0.111 Uiso 1 1 calc R . .
C16 C 0.3031(5) 0.4041(8) 0.0668(8) 0.106(6) Uani 1 1 d . . .
H16 H 0.2769 0.4431 0.0419 0.128 Uiso 1 1 calc R . .
C17 C 0.3420(4) 0.4152(7) 0.1445(7) 0.077(4) Uani 1 1 d . . .
C18 C 0.3416(6) 0.4909(9) 0.1874(10) 0.126(5) Uani 1 1 d U . .
C19 C 0.3808(4) 0.3575(7) 0.1790(7) 0.078(4) Uani 1 1 d . . .
H19 H 0.4070 0.3642 0.2319 0.093 Uiso 1 1 calc R . .
C20 C 0.3818(4) 0.2890(6) 0.1365(6) 0.066(4) Uani 1 1 d . . .
C21 C 0.4287(3) 0.2319(6) 0.1781(6) 0.063(4) Uani 1 1 d . . .
C22 C 0.5065(5) 0.1229(7) 0.4750(6) 0.080(4) Uani 1 1 d . . .
H22 H 0.5413 0.1206 0.4852 0.096 Uiso 1 1 calc R . .
C23 C 0.4458(6) 0.1295(11) 0.5234(9) 0.186(9) Uani 1 1 d . . .
H23A H 0.4307 0.1793 0.4952 0.280 Uiso 1 1 calc R . .
H23B H 0.4458 0.1300 0.5739 0.280 Uiso 1 1 calc R . .
H23C H 0.4254 0.0842 0.4920 0.280 Uiso 1 1 calc R . .
C24 C 0.5385(8) 0.1200(10) 0.6188(8) 0.171(9) Uani 1 1 d . . .
H24A H 0.5229 0.1100 0.6526 0.256 Uiso 1 1 calc R . .
H24B H 0.5567 0.1712 0.6330 0.256 Uiso 1 1 calc R . .
H24C H 0.5630 0.0773 0.6258 0.256 Uiso 1 1 calc R . .
N1 N 0.4981(4) 0.1224(6) 0.5369(5) 0.098(4) Uani 1 1 d . . .
N2 N 0.3454(3) 0.1295(5) 0.0486(5) 0.062(3) Uani 1 1 d D . .
O1 O 0.3631(4) -0.2425(7) 0.2322(7) 0.155(5) Uani 1 1 d U . .
O2 O 0.3015(4) -0.2837(5) 0.1202(7) 0.158(5) Uani 1 1 d U . .
O3 O 0.4373(2) 0.0400(4) 0.2420(4) 0.066(2) Uani 1 1 d . . .
O4 O 0.4519(2) 0.0447(4) 0.1392(4) 0.063(2) Uani 1 1 d . . .
O5 O 0.3124(4) 0.5409(6) 0.1650(7) 0.151(5) Uani 1 1 d U . .
O6 O 0.3766(6) 0.4960(9) 0.2569(9) 0.234(7) Uani 1 1 d U . .
O7 O 0.4381(2) 0.2110(4) 0.2463(4) 0.074(3) Uani 1 1 d . . .
O8 O 0.4526(2) 0.2121(4) 0.1421(4) 0.065(2) Uani 1 1 d . . .
O9 O 0.4729(2) 0.1260(4) 0.4065(4) 0.070(2) Uani 1 1 d . . .
O10 O 0.3728(5) -0.3792(6) 0.3373(8) 0.182(5) Uani 1 1 d U . .
H10A H 0.3543 -0.3614 0.3651 0.218 Uiso 1 1 d R . .
H10B H 0.4051 -0.3491 0.3564 0.218 Uiso 1 1 d R . .
O11 O 0.2574(5) -0.3462(8) 0.2336(8) 0.225(5) Uani 1 1 d DU . .
H11A H 0.2340 -0.3083 0.1943 0.270 Uiso 1 1 d R . .
H11B H 0.2660 -0.3271 0.2862 0.270 Uiso 1 1 d R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O9 Zn1 O7 101.1(3) . .
O9 Zn1 O4 98.0(3) . 2_655
O7 Zn1 O4 160.8(3) . 2_655
O9 Zn1 O8 99.9(3) . 2_655
O7 Zn1 O8 89.6(3) . 2_655
O4 Zn1 O8 85.0(3) 2_655 2_655
O9 Zn1 O3 101.7(3) . .
O7 Zn1 O3 87.9(3) . .
O4 Zn1 O3 90.3(3) 2_655 .
O8 Zn1 O3 158.3(3) 2_655 .
O9 Zn1 Zn1 179.3(2) . 2_655
O7 Zn1 Zn1 79.2(2) . 2_655
O4 Zn1 Zn1 81.8(2) 2_655 2_655
O8 Zn1 Zn1 80.6(2) 2_655 2_655
O3 Zn1 Zn1 77.7(2) . 2_655
O10 Zn2 O5 112.3(4) . 1_545
O10 Zn2 O1 93.5(4) . .
O5 Zn2 O1 142.2(6) 1_545 .
O10 Zn2 O2 152.6(4) . .
O5 Zn2 O2 93.3(4) 1_545 .
O1 Zn2 O2 59.3(4) . .
O10 Zn2 O11 93.7(6) . .
O5 Zn2 O11 97.5(5) 1_545 .
O1 Zn2 O11 108.3(5) . .
O2 Zn2 O11 92.4(5) . .
O1 C1 O2 121.3(13) . .
O1 C1 C2 119.9(11) . .
O2 C1 C2 118.6(12) . .
C3 C2 C8 117.6(11) . .
C3 C2 C1 121.3(10) . .
C8 C2 C1 121.0(10) . .
C4 C3 C2 122.2(9) . .
C4 C3 H3 118.9 . .
C2 C3 H3 118.9 . .
C3 C4 C6 119.1(8) . .
C3 C4 C5 118.8(8) . .
C6 C4 C5 121.9(9) . .
O4 C5 O3 125.9(8) . .
O4 C5 C4 117.2(9) . .
O3 C5 C4 116.8(9) . .
C7 C6 C4 119.8(9) . .
C7 C6 C9 117.0(8) . .
C4 C6 C9 123.1(8) . .
C8 C7 C6 120.1(9) . .
C8 C7 H7 119.9 . .
C6 C7 H7 119.9 . .
C7 C8 C2 121.1(10) . .
C7 C8 H8 119.5 . .
C2 C8 H8 119.5 . .
N2 C9 C10 120.8(10) . .
N2 C9 C6 115.0(10) . .
C10 C9 C6 123.9(10) . .
C9 C10 C11 120.2(12) . .
C9 C10 H10 119.9 . .
C11 C10 H10 119.9 . .
C12 C11 C10 118.3(13) . .
C12 C11 H11 120.9 . .
C10 C11 H11 120.9 . .
C11 C12 C13 119.2(12) . .
C11 C12 H12 120.4 . .
C13 C12 H12 120.4 . .
N2 C13 C12 121.9(11) . .
N2 C13 C14 119.6(10) . .
C12 C13 C14 118.5(10) . .
C15 C14 C20 118.7(11) . .
C15 C14 C13 119.2(9) . .
C20 C14 C13 121.9(9) . .
C14 C15 C16 121.5(10) . .
C14 C15 H15 119.3 . .
C16 C15 H15 119.3 . .
C17 C16 C15 119.7(11) . .
C17 C16 H16 120.1 . .
C15 C16 H16 120.1 . .
C19 C17 C16 118.8(11) . .
C19 C17 C18 122.3(10) . .
C16 C17 C18 118.9(11) . .
O5 C18 O6 116.7(16) . .
O5 C18 C17 127.9(14) . .
O6 C18 C17 115.3(13) . .
C17 C19 C20 121.4(10) . .
C17 C19 H19 119.3 . .
C20 C19 H19 119.3 . .
C14 C20 C19 119.8(9) . .
C14 C20 C21 122.9(10) . .
C19 C20 C21 117.2(8) . .
O8 C21 O7 127.7(9) . .
O8 C21 C20 118.3(9) . .
O7 C21 C20 114.0(10) . .
O9 C22 N1 125.2(12) . .
O9 C22 H22 117.4 . .
N1 C22 H22 117.4 . .
N1 C23 H23A 109.5 . .
N1 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
N1 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N1 C24 H24A 109.5 . .
N1 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
N1 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C22 N1 C23 118.7(10) . .
C22 N1 C24 124.9(14) . .
C23 N1 C24 116.4(14) . .
C9 N2 C13 119.4(10) . .
C1 O1 Zn2 90.9(8) . .
C1 O2 Zn2 88.6(9) . .
C5 O3 Zn1 128.3(7) . .
C5 O4 Zn1 125.0(6) . 2_655
C18 O5 Zn2 117.2(10) . 1_565
C21 O7 Zn1 128.3(7) . .
C21 O8 Zn1 123.8(6) . 2_655
C22 O9 Zn1 122.9(8) . .
Zn2 O10 H10A 109.6 . .
Zn2 O10 H10B 108.8 . .
H10A O10 H10B 109.5 . .
Zn2 O11 H11A 110.8 . .
Zn2 O11 H11B 109.0 . .
H11A O11 H11B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O9 1.964(8) .
Zn1 O7 1.986(6) .
Zn1 O4 2.030(6) 2_655
Zn1 O8 2.044(6) 2_655
Zn1 O3 2.062(6) .
Zn1 Zn1 2.920(3) 2_655
Zn2 O10 1.893(13) .
Zn2 O5 1.921(10) 1_545
Zn2 O1 2.126(11) .
Zn2 O2 2.173(11) .
Zn2 O11 2.208(14) .
C1 O1 1.218(15) .
C1 O2 1.223(14) .
C1 C2 1.512(17) .
C2 C3 1.371(13) .
C2 C8 1.392(15) .
C3 C4 1.336(14) .
C3 H3 0.9300 .
C4 C6 1.398(12) .
C4 C5 1.483(11) .
C5 O4 1.229(12) .
C5 O3 1.232(11) .
C6 C7 1.362(12) .
C6 C9 1.468(14) .
C7 C8 1.343(16) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 N2 1.339(13) .
C9 C10 1.393(16) .
C10 C11 1.421(18) .
C10 H10 0.9300 .
C11 C12 1.352(18) .
C11 H11 0.9300 .
C12 C13 1.418(18) .
C12 H12 0.9300 .
C13 N2 1.354(13) .
C13 C14 1.471(15) .
C14 C15 1.367(14) .
C14 C20 1.378(13) .
C15 C16 1.398(18) .
C15 H15 0.9300 .
C16 C17 1.374(15) .
C16 H16 0.9300 .
C17 C19 1.373(14) .
C17 C18 1.491(19) .
C18 O5 1.106(16) .
C18 O6 1.223(19) .
C19 C20 1.394(15) .
C19 H19 0.9300 .
C20 C21 1.521(13) .
C21 O8 1.227(13) .
C21 O7 1.241(13) .
C22 O9 1.195(11) .
C22 N1 1.313(16) .
C22 H22 0.9300 .
C23 N1 1.411(19) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 N1 1.430(16) .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
O4 Zn1 2.030(6) 2_655
O5 Zn2 1.921(10) 1_565
O8 Zn1 2.044(6) 2_655
O10 H10A 0.9600 .
O10 H10B 0.9600 .
O11 H11A 0.9600 .
O11 H11B 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O1 C1 C2 C3 3(2) . . . .
O2 C1 C2 C3 -171.4(13) . . . .
O1 C1 C2 C8 -178.1(14) . . . .
O2 C1 C2 C8 7(2) . . . .
C8 C2 C3 C4 3.4(19) . . . .
C1 C2 C3 C4 -177.8(12) . . . .
C2 C3 C4 C6 -0.9(18) . . . .
C2 C3 C4 C5 -174.8(11) . . . .
C3 C4 C5 O4 127.7(11) . . . .
C6 C4 C5 O4 -46.1(14) . . . .
C3 C4 C5 O3 -49.1(13) . . . .
C6 C4 C5 O3 137.2(10) . . . .
C3 C4 C6 C7 -0.5(17) . . . .
C5 C4 C6 C7 173.2(11) . . . .
C3 C4 C6 C9 174.9(11) . . . .
C5 C4 C6 C9 -11.3(17) . . . .
C4 C6 C7 C8 -0.7(19) . . . .
C9 C6 C7 C8 -176.4(12) . . . .
C6 C7 C8 C2 3(2) . . . .
C3 C2 C8 C7 -5(2) . . . .
C1 C2 C8 C7 176.5(13) . . . .
C7 C6 C9 N2 129.9(11) . . . .
C4 C6 C9 N2 -45.7(15) . . . .
C7 C6 C9 C10 -44.7(17) . . . .
C4 C6 C9 C10 139.8(12) . . . .
N2 C9 C10 C11 0.5(18) . . . .
C6 C9 C10 C11 174.7(12) . . . .
C9 C10 C11 C12 1(2) . . . .
C10 C11 C12 C13 -4(2) . . . .
C11 C12 C13 N2 4.7(19) . . . .
C11 C12 C13 C14 -176.9(12) . . . .
N2 C13 C14 C15 -129.2(12) . . . .
C12 C13 C14 C15 52.4(17) . . . .
N2 C13 C14 C20 46.8(16) . . . .
C12 C13 C14 C20 -131.6(12) . . . .
C20 C14 C15 C16 2(2) . . . .
C13 C14 C15 C16 178.2(13) . . . .
C14 C15 C16 C17 -3(2) . . . .
C15 C16 C17 C19 2(2) . . . .
C15 C16 C17 C18 179.5(14) . . . .
C19 C17 C18 O5 179.8(18) . . . .
C16 C17 C18 O5 2(3) . . . .
C19 C17 C18 O6 -4(3) . . . .
C16 C17 C18 O6 178.5(17) . . . .
C16 C17 C19 C20 1(2) . . . .
C18 C17 C19 C20 -177.0(13) . . . .
C15 C14 C20 C19 0.4(19) . . . .
C13 C14 C20 C19 -175.6(12) . . . .
C15 C14 C20 C21 -176.9(12) . . . .
C13 C14 C20 C21 7.1(19) . . . .
C17 C19 C20 C14 -2.0(19) . . . .
C17 C19 C20 C21 175.5(11) . . . .
C14 C20 C21 O8 48.2(15) . . . .
C19 C20 C21 O8 -129.2(11) . . . .
C14 C20 C21 O7 -131.9(12) . . . .
C19 C20 C21 O7 50.7(14) . . . .
O9 C22 N1 C23 -2.9(19) . . . .
O9 C22 N1 C24 -178.9(12) . . . .
C10 C9 N2 C13 0.4(15) . . . .
C6 C9 N2 C13 -174.3(9) . . . .
C12 C13 N2 C9 -3.0(15) . . . .
C14 C13 N2 C9 178.7(9) . . . .
O2 C1 O1 Zn2 -0.9(17) . . . .
C2 C1 O1 Zn2 -175.2(12) . . . .
O10 Zn2 O1 C1 -176.2(11) . . . .
O5 Zn2 O1 C1 49.5(13) 1_545 . . .
O2 Zn2 O1 C1 0.5(10) . . . .
O11 Zn2 O1 C1 -81.1(11) . . . .
O1 C1 O2 Zn2 0.9(17) . . . .
C2 C1 O2 Zn2 175.3(12) . . . .
O10 Zn2 O2 C1 6.6(18) . . . .
O5 Zn2 O2 C1 -152.9(10) 1_545 . . .
O1 Zn2 O2 C1 -0.5(10) . . . .
O11 Zn2 O2 C1 109.4(10) . . . .
O4 C5 O3 Zn1 15.7(14) . . . .
C4 C5 O3 Zn1 -167.9(6) . . . .
O9 Zn1 O3 C5 170.3(7) . . . .
O7 Zn1 O3 C5 69.4(8) . . . .
O4 Zn1 O3 C5 -91.4(8) 2_655 . . .
O8 Zn1 O3 C5 -14.2(12) 2_655 . . .
Zn1 Zn1 O3 C5 -10.0(7) 2_655 . . .
O3 C5 O4 Zn1 -10.5(13) . . . 2_655
C4 C5 O4 Zn1 173.1(6) . . . 2_655
O6 C18 O5 Zn2 16(3) . . . 1_565
C17 C18 O5 Zn2 -167.2(14) . . . 1_565
O8 C21 O7 Zn1 -8.8(15) . . . .
C20 C21 O7 Zn1 171.3(6) . . . .
O9 Zn1 O7 C21 -174.5(8) . . . .
O4 Zn1 O7 C21 12.2(13) 2_655 . . .
O8 Zn1 O7 C21 85.5(8) 2_655 . . .
O3 Zn1 O7 C21 -72.9(8) . . . .
Zn1 Zn1 O7 C21 4.9(8) 2_655 . . .
O7 C21 O8 Zn1 6.7(15) . . . 2_655
C20 C21 O8 Zn1 -173.4(6) . . . 2_655
N1 C22 O9 Zn1 179.5(8) . . . .
O7 Zn1 O9 C22 -137.7(8) . . . .
O4 Zn1 O9 C22 40.0(9) 2_655 . . .
O8 Zn1 O9 C22 -46.2(9) 2_655 . . .
O3 Zn1 O9 C22 132.1(8) . . . .
Zn1 Zn1 O9 C22 106(17) 2_655 . . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.009 -0.016 0.012 3693.6 902.0
